7FVS
Crystal Structure of S. aureus gyrase in complex with 4-[[1-[(1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methyl]azetidin-3-yl]methylamino]-6-fluorochromen-2-one
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B | DNA gyrase subunit B,DNA gyrase subunit A Chimera | polymer | 692 | 78109.0 | 2 | UniProt (P66937) UniProt (Q99XG5) Pfam (PF01751) Pfam (PF00986) Pfam (PF00521) In PDB | Staphylococcus aureus subsp. aureus N315 | |
| 2 | C, D | DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*GP*CP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3') | polymer | 20 | 6136.0 | 2 | synthetic construct | ||
| 3 | A, B | MANGANESE (II) ION | non-polymer | 54.9 | 3 | Chemie (MN) | |||
| 4 | A | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 5 | B | ACETATE ION | non-polymer | 59.0 | 1 | Chemie (ACT) | |||
| 6 | B | 4-{[(1-{[(6R)-1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl]methyl}azetidin-3-yl)methyl]amino}-6-fluoro-2H-1-benzopyran-2-one | non-polymer | 413.9 | 1 | Chemie (61I) | |||
| 7 | water | water | 18.0 | 462 | Chemie (HOH) |
Sequence modifications
A, B: 410 - 1001 (UniProt: P66937)
A, B: 1002 - 1491 (UniProt: Q99XG5)
| PDB | External Database | Details |
|---|---|---|
| Met 409 | - | initiating methionine |
| - | Leu 544 | deletion |
| - | Tyr 545 | deletion |
| - | Lys 546 | deletion |
| - | Leu 547 | deletion |
| - | Thr 548 | deletion |
| - | Gln 549 | deletion |
| - | Gly 550 | deletion |
| - | Lys 551 | deletion |
| - | Gln 552 | deletion |
| - | Lys 553 | deletion |
| - | Tyr 554 | deletion |
| - | Tyr 555 | deletion |
| - | Val 556 | deletion |
| - | Tyr 557 | deletion |
| - | Asn 558 | deletion |
| - | Asp 559 | deletion |
| - | Arg 560 | deletion |
| - | Glu 561 | deletion |
| - | Leu 562 | deletion |
| - | Asp 563 | deletion |
| - | Lys 564 | deletion |
| - | Leu 565 | deletion |
| - | Lys 566 | deletion |
| - | Ser 567 | deletion |
| - | Glu 568 | deletion |
| - | Leu 569 | deletion |
| - | Asn 570 | deletion |
| - | Pro 571 | deletion |
| - | Thr 572 | deletion |
| - | Pro 573 | deletion |
| - | Lys 574 | deletion |
| - | Trp 575 | deletion |
| - | Ser 576 | deletion |
| - | Ile 577 | deletion |
| Thr 544 | Ala 578 | conflict |
| Gly 545 | Arg 579 | conflict |
| PDB | External Database | Details |
|---|---|---|
| Phe 1123 | Tyr 123 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 168489.9 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 673.2 | |
| All* | Total formula weight | 169163.1 |
